[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-benzamido-4-methylsulfonyl-butanoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-benzamido-4-methylsulfonyl-butanoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] (2S)-2-benzamido-4-methylsulfonyl-butanoate CAS Name: (2S)-2-benzamido-4-methylsulfonylbutanoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-benzamido-4-methylsulfonylbutanoate Traditional Name: (2S)-2-benzamido-4-mesyl-butyric acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H24N2O6S MolecularWeight: 384.44726

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C(CCS(=O)(=O)C)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)[C@H](CCS(=O)(=O)C)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H24N2O6S/c1-4-18-15(20)12(2)25-17(22)14(10-11-26(3,23)24)19-16(21)13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H,18,20)(H,19,21)/t12-,14-/m0/s1